2-butyl-6-(trifluoromethyl)pyridine

C10H12F3N — CID 126570654

IUPAC2-butyl-6-(trifluoromethyl)pyridine
SMILESCCCCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N/c1-2-3-5-8-6-4-7-9(14-8)10(11,12)13/h4,6-7H,2-3,5H2,1H3
InChIKeyJWRVWHKENZSGEZ-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.44
Rot. Bonds3

About 2-butyl-6-(trifluoromethyl)pyridine

2-butyl-6-(trifluoromethyl)pyridine (PubChem CID 126570654) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-butyl-6-(trifluoromethyl)pyridine
PubChem CID126570654
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2-butyl-6-(trifluoromethyl)pyridine
SMILESCCCCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N/c1-2-3-5-8-6-4-7-9(14-8)10(11,12)13/h4,6-7H,2-3,5H2,1H3
InChIKeyJWRVWHKENZSGEZ-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-butyl-6-(trifluoromethyl)pyridine (CID 126570654) is 2-butyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-butyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-butyl-6-(trifluoromethyl)pyridine is CCCCc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-butyl-6-(trifluoromethyl)pyridine?
The InChIKey is JWRVWHKENZSGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-2-3-5-8-6-4-7-9(14-8)10(11,12)13/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-butyl-6-(trifluoromethyl)pyridine?
2-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 203.21 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 126570654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).